SCHEMBL449187

SCHEMBL449187

O=C1c2cc(Br)ccc2CCC12CCOCC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PARP1 P09874 1/20 0.43
PARP10 Q53GL7 1/20 0.43
HTR2A P28223 5/20 0.40
HTR2C P28335 5/20 0.40
HTR2B P41595 5/20 0.40
SIGMAR1 Q99720 5/20 0.40
LRRK2 Q5S007 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA4 P22748 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
TDP2 O95551 1/20 0.36
KDM1A O60341 1/20 0.36
DRD2 P14416 3/20 0.35
MALT1 Q9UDY8 1/20 0.35
CMA1 P23946 1/20 0.35
AHR P35869 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16622009 0.89 TDP1 (0.53) TDP1L3MBTL1PARP1PARP10HTR2A
SCHEMBL27840 0.86 LRRK2 (0.41) TDP1L3MBTL1PARP1PARP10LRRK2
SCHEMBL30898650 0.86 LRRK2 (0.41) TDP1L3MBTL1PARP1PARP10LRRK2
SCHEMBL16622013 0.86 TDP1 (0.50) TDP1L3MBTL1PARP1PARP10HTR2A
SCHEMBL8779101 0.86 TDP1 (0.50) TDP1L3MBTL1PARP1PARP10HTR2A
SCHEMBL7885437 0.84 TDP1 (0.61) TDP1L3MBTL1PARP1PARP10HTR2A
SCHEMBL16622016 0.81 TDP1 (0.45) TDP1L3MBTL1PARP1PARP10HTR2A
SCHEMBL22471609 0.78 KDM1A (0.39) TDP1L3MBTL1PARP1PARP10SIGMAR1
SCHEMBL29790999 0.78 SIGMAR1 (0.64) HTR2AHTR2CHTR2BSIGMAR1DRD2
SCHEMBL7887145 0.77 BACE1 (0.46) TDP1L3MBTL1APPBACE1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120065195-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES ARRAY BIOPHARMA INC. 2012-03-15 US disclosed
WO-2011123674-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES ARRAY BIOPHARMA INC. (US) 2011-10-06 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120065195-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES APP, BACE1, PSEN1 TDP1 200/4885L3MBTL1 4213/4885PARP1 1287/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.